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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50251088'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50251088
PNG
(CHEMBL463678 | N-(1-benzyl-1H-benzo[d]imidazol-5-y...)
Show SMILES Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Nc1ccc2n(Cc3ccccc3)cnc2c1
Show InChI InChI=1S/C25H27N3O2S/c1-16-17(2)19(4)25(20(5)18(16)3)31(29,30)27-22-11-12-24-23(13-22)26-15-28(24)14-21-9-7-6-8-10-21/h6-13,15,27H,14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.04n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Protection of human pregnane X receptor against proteolytic digestion in presence of trypsin


Bioorg Med Chem 16: 3537-49 (2008)


Article DOI: 10.1016/j.bmc.2008.02.020
BindingDB Entry DOI: 10.7270/Q21R6Q82
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50251088
PNG
(CHEMBL463678 | N-(1-benzyl-1H-benzo[d]imidazol-5-y...)
Show SMILES Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Nc1ccc2n(Cc3ccccc3)cnc2c1
Show InChI InChI=1S/C25H27N3O2S/c1-16-17(2)19(4)25(20(5)18(16)3)31(29,30)27-22-11-12-24-23(13-22)26-15-28(24)14-21-9-7-6-8-10-21/h6-13,15,27H,14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells


Bioorg Med Chem 16: 3537-49 (2008)


Article DOI: 10.1016/j.bmc.2008.02.020
BindingDB Entry DOI: 10.7270/Q21R6Q82
More data for this
Ligand-Target Pair